SCHEMBL9920701

SCHEMBL9920701

CC(N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
PDE2A O00408 10/20 0.41
UTS2R Q9UKP6 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGDR Q13258 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9920683 0.96 MAPK1 (0.44) MAPK1NPC1MAPTRAB9A
SCHEMBL9920823 0.90 MAPK1 (0.42) MAPK1NPC1MAPTRAB9A
SCHEMBL9920709 0.90 MAPK1 (0.42) MAPK1NPC1MAPTRAB9A
SCHEMBL9920924 0.90 MAPK1 (0.42) MAPK1NPC1MAPTRAB9A
SCHEMBL9920651 0.88 MAPK1 (0.44) MAPK1NPC1MAPTRAB9A
SCHEMBL19041588 0.86 PDE2A (0.38) MAPK1PDE2ATRPV1
SCHEMBL9921009 0.85 MAPK3 (0.44) MAPK1PDE2ANPC1MAPTRAB9A
SCHEMBL9920668 0.84 MAPK1 (0.42) MAPK1PDE2ANPC1MAPTRAB9A
SCHEMBL19041787 0.82 PDE2A (0.35) MAPK1PDE2ATRPV1
SCHEMBL9921110 0.81 PRKAB2 (0.42) NPC1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed